N-(2-bromo-6-methylphenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine

C18H16BrF2N3 — CID 66613240

IUPACN-(2-bromo-6-methylphenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1cccc(Br)c1Nc1c(-c2ccc(F)cc2F)c(C)nn1C
InChIInChI=1S/C18H16BrF2N3/c1-10-5-4-6-14(19)17(10)22-18-16(11(2)23-24(18)3)13-8-7-12(20)9-15(13)21/h4-9,22H,1-3H3
InChIKeyDAEQCGSYQBNZRU-UHFFFAOYSA-N
MW392.25 g/mol
LogP5.49
Rot. Bonds3

About N-(2-bromo-6-methylphenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine

N-(2-bromo-6-methylphenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine (PubChem CID 66613240) has the molecular formula C18H16BrF2N3 and a molecular weight of 392.25 g/mol. Its IUPAC name is N-(2-bromo-6-methylphenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound NameN-(2-bromo-6-methylphenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine
PubChem CID66613240
Molecular FormulaC18H16BrF2N3
Molecular Weight392.25 g/mol
Exact Mass391.05
IUPAC NameN-(2-bromo-6-methylphenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1cccc(Br)c1Nc1c(-c2ccc(F)cc2F)c(C)nn1C
InChIInChI=1S/C18H16BrF2N3/c1-10-5-4-6-14(19)17(10)22-18-16(11(2)23-24(18)3)13-8-7-12(20)9-15(13)21/h4-9,22H,1-3H3
InChIKeyDAEQCGSYQBNZRU-UHFFFAOYSA-N
XLogP5.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.25
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-methylphenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine?
The IUPAC name of N-(2-bromo-6-methylphenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine (CID 66613240) is N-(2-bromo-6-methylphenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for N-(2-bromo-6-methylphenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for N-(2-bromo-6-methylphenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine is Cc1cccc(Br)c1Nc1c(-c2ccc(F)cc2F)c(C)nn1C.
What is the InChIKey of N-(2-bromo-6-methylphenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine?
The InChIKey is DAEQCGSYQBNZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrF2N3/c1-10-5-4-6-14(19)17(10)22-18-16(11(2)23-24(18)3)13-8-7-12(20)9-15(13)21/h4-9,22H,1-3H3.
What are the key properties of N-(2-bromo-6-methylphenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine?
N-(2-bromo-6-methylphenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine has a molecular weight of 392.25 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-methylphenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 66613240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).